title: LipidBlast in silico tandem mass spectrometry database for lipid identification.
abstract: Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer-generated tandem mass spectral library of 212,516 spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. We show platform independence by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.
authors.affiliation: Metabolics Core, UC Davis Genome Center, University of California, Davis, Davis, California, USA. tkind@ucdavis.edu
authors.forename: Tobias
authors.initials: T
authors.lastname: Kind
authors.forename: Kwang-Hyeon
authors.initials: KH
authors.lastname: Liu
authors.forename: Do Yup
authors.initials: DY
authors.lastname: Lee
authors.forename: Brian
authors.initials: B
authors.lastname: DeFelice
authors.forename: John K
authors.initials: JK
authors.lastname: Meissen
authors.forename: Oliver
authors.initials: O
authors.lastname: Fiehn
mesh_terms: D016208:Databases, Factual; D008055:Lipids / Q000032:analysis*; D055432:Metabolomics / Q000379:methods; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D008055:Lipids